N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide

C8H19N3O — CID 176943743

IUPACN-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CCN(C)CCO
InChIInChI=1S/C8H19N3O/c1-9-8-11(3)5-4-10(2)6-7-12/h8,12H,4-7H2,1-3H3/b9-8+
InChIKeyYUKKRTOIUDCSRQ-CMDGGOBGSA-N
MW173.26 g/mol
LogP-0.50
Rot. Bonds6

About N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide

N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide (PubChem CID 176943743) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide
PubChem CID176943743
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CCN(C)CCO
InChIInChI=1S/C8H19N3O/c1-9-8-11(3)5-4-10(2)6-7-12/h8,12H,4-7H2,1-3H3/b9-8+
InChIKeyYUKKRTOIUDCSRQ-CMDGGOBGSA-N
XLogP-0.50
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
N-(2-methoxyethyl)-N,N'-dimethylmethanimidamide
CID 90250322
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
CID 59270461
CID 59270461
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
CID 88790453

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide (CID 176943743) is N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide is C/N=C/N(C)CCN(C)CCO.
What is the InChIKey of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide?
The InChIKey is YUKKRTOIUDCSRQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H19N3O/c1-9-8-11(3)5-4-10(2)6-7-12/h8,12H,4-7H2,1-3H3/b9-8+.
What are the key properties of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide?
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide has a molecular weight of 173.26 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 176943743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).